N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide

C13H14ClFN2O2S2 — CID 106029020

IUPACN-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)s1
InChIInChI=1S/C13H14ClFN2O2S2/c1-2-16-8-10-4-6-13(20-10)21(18,19)17-12-5-3-9(15)7-11(12)14/h3-7,16-17H,2,8H2,1H3
InChIKeyJYEGUTUZNQKQAS-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.45
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide

N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106029020) has the molecular formula C13H14ClFN2O2S2 and a molecular weight of 348.85 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
PubChem CID106029020
Molecular FormulaC13H14ClFN2O2S2
Molecular Weight348.85 g/mol
Exact Mass348.02
IUPAC NameN-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)s1
InChIInChI=1S/C13H14ClFN2O2S2/c1-2-16-8-10-4-6-13(20-10)21(18,19)17-12-5-3-9(15)7-11(12)14/h3-7,16-17H,2,8H2,1H3
InChIKeyJYEGUTUZNQKQAS-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29080256
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066943
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107529035
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106029213
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802
2-[5-[(4-bromo-2-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43237086
5-(ethylaminomethyl)-N-(6-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106073184
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide (CID 106029020) is N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)s1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is JYEGUTUZNQKQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2S2/c1-2-16-8-10-4-6-13(20-10)21(18,19)17-12-5-3-9(15)7-11(12)14/h3-7,16-17H,2,8H2,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 348.85 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106029020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).